(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid

C11H21NO5 — CID 61172189

IUPAC(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)COCCOC)C(=O)O
InChIInChI=1S/C11H21NO5/c1-4-8(2)10(11(14)15)12-9(13)7-17-6-5-16-3/h8,10H,4-7H2,1-3H3,(H,12,13)(H,14,15)/t8?,10-/m0/s1
InChIKeySRQKSCAZRRSTBW-HTLJXXAVSA-N
MW247.29 g/mol
LogP0.26
Rot. Bonds9

About (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid

(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid (PubChem CID 61172189) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid
PubChem CID61172189
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)COCCOC)C(=O)O
InChIInChI=1S/C11H21NO5/c1-4-8(2)10(11(14)15)12-9(13)7-17-6-5-16-3/h8,10H,4-7H2,1-3H3,(H,12,13)(H,14,15)/t8?,10-/m0/s1
InChIKeySRQKSCAZRRSTBW-HTLJXXAVSA-N
XLogP0.26
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-butoxyacetyl)amino]-3-methylpentanoic acid
CID 119211767
2-(3-methoxypropanoylamino)-3-methylpentanoic acid
CID 60759451
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
(2S,3S)-2-[[2-(cyclopropylmethoxy)acetyl]amino]-3-methylpentanoic acid
CID 119194038
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
(2S)-3-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104204
2-[(2-fluoroacetyl)amino]-3-methylpentanoic acid
CID 139416074
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 103920046
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S,3S)-2-(3,4-dimethylpentanoylamino)-3-methylpentanoic acid
CID 119193969
[2-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-2-oxoethyl]-trimethylazanium
CID 44551456
(2S)-2-[3-(2-methoxyethoxy)propanoylamino]-3-methylbutanoic acid
CID 119360709

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid (CID 61172189) is (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)COCCOC)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid?
The InChIKey is SRQKSCAZRRSTBW-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H21NO5/c1-4-8(2)10(11(14)15)12-9(13)7-17-6-5-16-3/h8,10H,4-7H2,1-3H3,(H,12,13)(H,14,15)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid?
(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid has a molecular weight of 247.29 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 61172189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).